#MD System 2.0 @Title neb0_image09 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.84969141033 0.307884176879 0.0626401851773} Si1 1 0.0 1 14 {} {0.850186421126 0.38522769606 0.444502622937} Si2 2 0.0 1 14 {} {0.0996268817903 0.307601882455 0.192747412408} Si3 3 0.0 1 14 {} {0.100017630518 0.383585763419 0.31816316582} Si4 4 0.0 1 14 {} {0.861362040229 0.542449960745 0.439350818902} Si5 5 0.0 1 14 {} {0.104653839991 0.537959326676 0.304762889469} Si6 6 0.0 1 14 {} {0.849310673242 0.458870693563 0.0658018756265} Si7 7 0.0 1 14 {} {0.845897495315 0.229907618135 0.442307489466} Si8 8 0.0 1 14 {} {0.100034272978 0.45870405008 0.193050459668} Si9 9 0.0 1 14 {} {0.095684286639 0.229143763854 0.313698596016} Si10 10 0.0 1 8 {} {0.340057275906 0.5921319696 0.524690720728} O1 11 0.0 1 14 {} {0.35352716228 0.659314971996 0.517215797767} Si11 12 0.0 1 8 {} {0.112831827833 0.589596296741 0.208342020625} O2 13 0.0 1 1 {} {0.0121654717238 0.594198244657 0.149011812522} H1 14 0.0 1 8 {} {0.334881531709 0.178325348785 0.540480963362} O3 15 0.0 1 1 {} {0.933796167953 0.175236172879 0.601033812614} H2 16 0.0 1 8 {} {0.0846215888958 0.177418010914 0.215933864055} O4 17 0.0 1 1 {} {0.183616812302 0.173844917959 0.155816644873} H3 18 0.0 1 14 {} {0.850103547966 0.308134930999 0.565185748268} Si12 19 0.0 1 14 {} {0.850073784088 0.384450971933 0.938425445168} Si13 20 0.0 1 14 {} {0.100085163793 0.309574289089 0.694494837441} Si14 21 0.0 1 14 {} {0.100810238009 0.388286758794 0.812349913972} Si15 22 0.0 1 14 {} {0.851930841717 0.537752423604 0.951222503362} Si16 23 0.0 1 14 {} {0.103410370637 0.543605222082 0.8208496335} Si17 24 0.0 1 14 {} {0.851197942285 0.46430517897 0.560765410115} Si18 25 0.0 1 14 {} {0.84604215782 0.229224565544 0.942598670452} Si19 26 0.0 1 14 {} {0.101385249842 0.466947228801 0.690664034679} Si20 27 0.0 1 14 {} {0.0963005473232 0.230449866395 0.814910545604} Si21 28 0.0 1 8 {} {0.363982328935 0.589225353988 0.0470767933333} O5 29 0.0 1 1 {} {0.263429691555 0.594226113825 0.10677848498} H4 30 0.0 1 8 {} {0.110812242705 0.60436286563 0.779571294056} O6 31 0.0 1 1 {} {0.113424522819 0.62564587735 0.700664197826} H5 32 0.0 1 8 {} {0.334859108327 0.177709791539 0.0410929335917} O7 33 0.0 1 1 {} {0.93389703848 0.174012970694 0.100955662356} H6 34 0.0 1 8 {} {0.084961379025 0.179889133922 0.713935538939} O8 35 0.0 1 1 {} {0.184520269673 0.176007520731 0.654225964965} H7 36 0.0 1 14 {} {0.34950579055 0.307869961976 0.0626929717448} Si22 37 0.0 1 14 {} {0.350037329645 0.385461899487 0.444359672066} Si23 38 0.0 1 14 {} {0.599541170548 0.308054949819 0.192659794763} Si24 39 0.0 1 14 {} {0.600222923723 0.384009277215 0.318492691119} Si25 40 0.0 1 14 {} {0.353817033385 0.541326566122 0.435134793269} Si26 41 0.0 1 14 {} {0.609400988637 0.541203939153 0.310273224015} Si27 42 0.0 1 14 {} {0.353299191507 0.4587008492 0.0684467412723} Si28 43 0.0 1 14 {} {0.345582338506 0.229852691343 0.442137859071} Si29 44 0.0 1 14 {} {0.603225028871 0.460533170719 0.197701280358} Si30 45 0.0 1 14 {} {0.595786850065 0.229567644536 0.313881767552} Si31 46 0.0 1 8 {} {0.875457469538 0.590685893223 0.539060214555} O9 47 0.0 1 1 {} {0.947827587983 0.622643298006 0.529355943072} H8 48 0.0 1 8 {} {0.617363036168 0.591193153451 0.20947141009} O10 49 0.0 1 1 {} {0.51461686342 0.59567065537 0.151972070317} H9 50 0.0 1 8 {} {0.834665660392 0.178433238585 0.540785710642} O11 51 0.0 1 1 {} {0.434017166593 0.174780886358 0.600557181205} H10 52 0.0 1 8 {} {0.585009649989 0.177926074271 0.215845929615} O12 53 0.0 1 1 {} {0.684006112107 0.174333866373 0.155716375015} H11 54 0.0 1 14 {} {0.349192109212 0.308234939697 0.564435765668} Si32 55 0.0 1 14 {} {0.350630392723 0.384633932299 0.939526684821} Si33 56 0.0 1 14 {} {0.599247781335 0.30871112852 0.693539616745} Si34 57 0.0 1 14 {} {0.599921486326 0.386857432845 0.812246353136} Si35 58 0.0 1 14 {} {0.353578583555 0.536981766175 0.953665247392} Si36 59 0.0 1 14 {} {0.600305158402 0.541619720932 0.819266444511} Si37 60 0.0 1 14 {} {0.351365583263 0.464288927638 0.560573632788} Si38 61 0.0 1 14 {} {0.346231707878 0.229210895856 0.942763784229} Si39 62 0.0 1 14 {} {0.600902892817 0.465130994031 0.691043918188} Si40 63 0.0 1 14 {} {0.595992061953 0.229947710971 0.814596897368} Si41 64 0.0 1 8 {} {0.861193389845 0.590070560566 0.044613664779} O13 65 0.0 1 1 {} {0.761778906012 0.59475362581 0.105859430432} H12 66 0.0 1 8 {} {0.592453034079 0.597214286084 0.744781340985} O14 67 0.0 1 14 {} {0.587429160417 0.663055114254 0.7460446326} Si42 68 0.0 1 8 {} {0.834877725583 0.177699948739 0.0408851127188} O15 69 0.0 1 1 {} {0.433873794063 0.174166195744 0.101215542183} H13 70 0.0 1 8 {} {0.584878360132 0.179111874684 0.714376877944} O16 71 0.0 1 1 {} {0.684188025507 0.175512448052 0.654360251054} H14 72 0.0 1 7 {} {0.440363969784 0.68876108219 0.64737586833} N 73 0.0 1 1 {} {0.434271394128 0.753878893863 0.655710348496} H16 74 0.0 1 9 {} {0.782772048643 0.68147671776 0.718109554245} F4 75 0.0 1 9 {} {0.265578035239 0.683672211639 0.393597038344} F5 76 0.0 1 9 {} {0.547406666875 0.678716542367 0.886368739897} F3 77 0.0 1 9 {} {0.140140072832 0.661016524574 0.584620261657} F1 78 0.0 1 9 {} {0.437067481935 0.792516979109 0.659190847399} F2 79 0.0 1 9 {} {0.553831434361 0.659733896221 0.451619146893} F6 80 0.0 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 1 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 1 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 33 68 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 67 74 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end